General Information of the Compound
| Compound ID |
CP0500689
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| Compound Name |
methyl 2-fluoro-6-[3-fluoro-4-[[[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]amino]methyl]phenyl]benzoate
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| Structure |
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| Formula |
C18H14F5NO4
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| Molecular Weight |
403.303
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| Canonical SMILES |
COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)[C@@H](O)C(F)(F)F)c(F)c1
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| InChI |
InChI=1S/C18H14F5NO4/c1-28-17(27)14-11(3-2-4-12(14)19)9-5-6-10(13(20)7-9)8-24-16(26)15(25)18(21,22)23/h2-7,15,25H,8H2,1H3,(H,24,26)/t15-/m1/s1
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| InChIKey |
PYQVBEAYNAXQOE-OAHLLOKOSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound